2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid

C19H23NO5S — CID 167912099

IUPAC2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid
SMILESCc1ccc(C(C)(C)CN(C)S(=O)(=O)c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-13-5-7-14(8-6-13)19(2,3)12-20(4)26(24,25)15-9-10-16(18(22)23)17(21)11-15/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyKNIWDEWWEUXALE-UHFFFAOYSA-N
MW377.46 g/mol
LogP3.00
Rot. Bonds6

About 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid

2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid (PubChem CID 167912099) has the molecular formula C19H23NO5S and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid
PubChem CID167912099
Molecular FormulaC19H23NO5S
Molecular Weight377.46 g/mol
Exact Mass377.13
IUPAC Name2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid
SMILESCc1ccc(C(C)(C)CN(C)S(=O)(=O)c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C19H23NO5S/c1-13-5-7-14(8-6-13)19(2,3)12-20(4)26(24,25)15-9-10-16(18(22)23)17(21)11-15/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyKNIWDEWWEUXALE-UHFFFAOYSA-N
XLogP3.00
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-2-hydroxybenzoic acid
CID 23009711
2-chloro-4-[2,2-dimethylpropyl(methyl)sulfamoyl]benzoic acid
CID 107090039
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
N-[4-[methyl-(2-methyl-2-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 110669737
5-[ethyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 43263312
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-hydroxy-5-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63983665
4-[[4-[4-(4-ethanimidoylphenyl)phenyl]phenyl]methyl-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-2-hydroxybenzoic acid
CID 123219716
4-[2,2-dimethylpropyl(methyl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920164
3-bromo-5-[2,2-dimethylpropyl(methyl)sulfamoyl]-2-methylbenzoic acid
CID 79576117
5-[cyclopropylmethyl(methyl)sulfamoyl]-2-hydroxybenzoic acid
CID 54876183
2-hydroxy-4-[4-(4-methylphenyl)sulfonylbutoxy]benzoic acid
CID 19105976

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid (CID 167912099) is 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid is Cc1ccc(C(C)(C)CN(C)S(=O)(=O)c2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid?
The InChIKey is KNIWDEWWEUXALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5S/c1-13-5-7-14(8-6-13)19(2,3)12-20(4)26(24,25)15-9-10-16(18(22)23)17(21)11-15/h5-11,21H,12H2,1-4H3,(H,22,23).
What are the key properties of 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid?
2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid has a molecular weight of 377.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[methyl-[2-methyl-2-(4-methylphenyl)propyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 167912099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).